8TX
Summary
| Name: | 8-thioxo-3,7,8,9-tetrahydro-1H-purine-2,6-dione |
| Formula: | C5 H4 N4 O2 S |
| Formal charge: | 0 |
| Formula weight: | 184.176 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | 8-sulfanylidene-7,9-dihydro-3H-purine-2,6-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | O=C1NC(=O)C2=C(N1)NC(=S)N2 |
| SMILES | CACTVS | 3.352 | O=C1NC(=O)C2=C(N1)NC(=S)N2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C12=C(NC(=O)NC1=O)NC(=S)N2 |
| SMILES | OpenEye OEToolkits | 1.7.0 | C12=C(NC(=O)NC1=O)NC(=S)N2 |
| InChI | InChI | 1.03 | InChI=1S/C5H4N4O2S/c10-3-1-2(7-4(11)9-3)8-5(12)6-1/h(H4,6,7,8,9,10,11,12) |
| InChIKey | InChI | 1.03 | KFQXXACDWBTCDT-UHFFFAOYSA-N |
